2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride

C9H6Cl4O — CID 21488826

IUPAC2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride
SMILESO=C(Cl)C(Cl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl4O/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3H2
InChIKeyFYFLYUWBJHDLBV-UHFFFAOYSA-N
MW271.96 g/mol
LogP3.91
Rot. Bonds3

About 2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride

2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride (PubChem CID 21488826) has the molecular formula C9H6Cl4O and a molecular weight of 271.96 g/mol. Its IUPAC name is 2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride.

Molecular Properties

Compound Name2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride
PubChem CID21488826
Molecular FormulaC9H6Cl4O
Molecular Weight271.96 g/mol
Exact Mass269.92
IUPAC Name2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride
SMILESO=C(Cl)C(Cl)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl4O/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3H2
InChIKeyFYFLYUWBJHDLBV-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.96
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(2,4-dichlorophenyl)propanamide
CID 82054649
2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride
CID 82054638
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
4-(2,4-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81008936
3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659
2-bromo-1-(2,4-dichlorophenyl)-4,4-dimethylpentan-3-one
CID 13034852
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
dideuterio-(2,4-dichlorophenyl)methanol
CID 71751981
methyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate
CID 138755721
1-(2,4-dichlorophenyl)-4-methylpentan-2-one
CID 39348531

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride?
The IUPAC name of 2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride (CID 21488826) is 2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride.
What is the SMILES notation for 2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride?
The canonical SMILES for 2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride is O=C(Cl)C(Cl)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride?
The InChIKey is FYFLYUWBJHDLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl4O/c10-6-2-1-5(7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3H2.
What are the key properties of 2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride?
2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride has a molecular weight of 271.96 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride is sourced from PubChem (CID 21488826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).